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平行板内障碍物对高分子链扩散的影响
  • ISSN号：1008-9497
  • 期刊名称：《浙江大学学报：理学版》
  • 时间：0
  • 分类：O643.1[理学—物理化学;理学—化学]
  • 作者机构：[1]温州大学物理系,浙江温州325007, [2]金华职业技术学院,浙江金华321000
  • 相关基金：国家自然科学基金资助项目（20574052,20774066,20974081,20934004）;教育部“新世纪优秀人才支持计划（NCET-05-0538）;教育部博士点基金资助项目（20090101110002）;浙江省自然科学基金资助项目（Y4080098）
作者： 徐李梅[1], 何林李[1], 成军[2]
关键词： 分子动力学方法, 障碍物, 扩散系数, MD； obstacles； diffusion coefficient
中文摘要：

采用分子动力学（MD）方法研究了高分子单链受限在2块不可穿透的平行板之间且平行板内有均匀分布的障碍物时的扩散行为.模拟结果发现：分子链的链长N及障碍物间距d对高分子链扩散系数D影响很大.链越长（N越大）,扩散越慢（D越小）;同时障碍物间距d越小,扩散越慢（D越小）.障碍物对高分子链的形状因子及链大小也有影响.障碍物间距d越小时,高分子链更接近棒状,链尺寸也较大.这些研究结果有助于全面了解高分子链在受限环境下的构象及动力学过程.

英文摘要：

The dynamical behaviors and conformational properties of a single polymer chain confined in two impeneflat walls containing uniform distribution obstacles were investigated by molecular dynamics（MD） simulations.The chain length N and the spacing d between the obstacles have great influence on the diffusion coefficient D.The longer the length of the chains N is,the less the diffusion efficient D is;as well as the less the spacing d is,the slower the dynamics is.Besides,the obstacles also affect the shape factor and the chain size deeply.When the spacing d between the obstacles is small,the shape factor and the chain size become large.These investigations can provide insights into the conformational and dynamical properties of the confined polymer chains.

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期刊信息
  • 《浙江大学学报：理学版》
  • 中国科技核心期刊
  • 主管单位:教育部
  • 主办单位:浙江大学
  • 主编：贺贤士 张富春
  • 地址：杭州市天目山路148号
  • 邮编：310028
  • 邮箱：zdxb_l@zju.edu.cn
  • 电话：0571-88272803
  • 国际标准刊号：ISSN：1008-9497
  • 国内统一刊号：ISSN：33-1246/N
  • 邮发代号:32-36
  • 获奖情况:
  • 第二届中国高校精品科技期刊
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  • 被引量:7855